DFT data, Electronic Inductive and Resonance Effects of Substituents on Concerted Two-proton-coupled Electron Transfer between Electrogenerated Superoxide and Hydroquinone Derivatives in N,N-Dimethylformamide
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https://data.mendeley.com/datasets/9h9xcdz7pz
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资源简介:
DFT data for this study was calculated using with two hybrid functionals, the Becke three-parameter Lee–Yang–Parr (B3LYP) and the meta exchange-correlated functional (Minnesota 06, M06-2X), implemented in the Gaussian 16 Program package.
创建时间:
2024-02-05



